N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine

C12H13NOS — CID 115866144

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NC/C=C/c1ccco1
InChIInChI=1S/C12H13NOS/c1-10-8-15-9-12(10)13-6-2-4-11-5-3-7-14-11/h2-5,7-9,13H,6H2,1H3/b4-2+
InChIKeyKHQWJMFJECPKFF-DUXPYHPUSA-N
MW219.31 g/mol
LogP3.77
Rot. Bonds4

About N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine

N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine (PubChem CID 115866144) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine
PubChem CID115866144
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine
SMILESCc1cscc1NC/C=C/c1ccco1
InChIInChI=1S/C12H13NOS/c1-10-8-15-9-12(10)13-6-2-4-11-5-3-7-14-11/h2-5,7-9,13H,6H2,1H3/b4-2+
InChIKeyKHQWJMFJECPKFF-DUXPYHPUSA-N
XLogP3.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline
CID 115865967
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine
CID 115865971
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115866089
N-[(E)-3-(furan-2-yl)prop-2-enyl]but-3-en-2-amine
CID 115866111
N-[(E)-3-(furan-2-yl)prop-2-enyl]-1-methylsulfanylpropan-2-amine
CID 115866050
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine
CID 103868550
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline
CID 166189514
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine (CID 115866144) is N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine is Cc1cscc1NC/C=C/c1ccco1.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine?
The InChIKey is KHQWJMFJECPKFF-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H13NOS/c1-10-8-15-9-12(10)13-6-2-4-11-5-3-7-14-11/h2-5,7-9,13H,6H2,1H3/b4-2+.
What are the key properties of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine?
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine has a molecular weight of 219.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine is sourced from PubChem (CID 115866144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).